Molecule ID: mol32051
SMILES: C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=N/Nc3ncccn3)CC[C@]12O
InChI: InChI=1S/C24H36N4O2/c1-22-9-7-18(29)14-16(22)4-5-20-19(22)8-10-23(2)17(6-11-24(20,23)30)15-27-28-21-25-12-3-13-26-21/h3,12-13,15-20,29-30H,4-11,14H2,1-2H3,(H,25,26,28)/b27-15+/t16-,17-,18+,19+,20-,22+,23-,24+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.44 | OCHEM | 1 » 0 |